smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(Nc2cc(N3CCC[C@@H](C(=O)[O-])C3)nc[nH+]2)cc1	ZINC000217362818	542877271	/nfs/dbraw/zinc/87/72/71/542877271.db2.gz	NKCQFLFKSFGWHJ-CYBMUJFWSA-N	0	2	312.373	2.830	40	70		DFIBLN
Cc1nc(Nc2ccccc2)cc(N2CCC[C@H](C(=O)[O-])C2)[nH+]1	ZINC000217362495	542877127	/nfs/dbraw/zinc/87/71/27/542877127.db2.gz	RSGRFVGTNKETMW-ZDUSSCGKSA-N	0	2	312.373	2.830	40	70		DFIBLN
Cc1ccc(Nc2cc(N3CCC[C@H](C(=O)[O-])C3)nc[nH+]2)cc1	ZINC000217362904	542877207	/nfs/dbraw/zinc/87/72/07/542877207.db2.gz	NKCQFLFKSFGWHJ-ZDUSSCGKSA-N	0	2	312.373	2.830	40	70		DFIBLN
O=C([O-])[C@@H]1CCCN(c2cc(Nc3ccc(F)cc3)[nH+]cn2)C1	ZINC000217363610	542877464	/nfs/dbraw/zinc/87/74/64/542877464.db2.gz	AKMXPWZTZHEYLL-LLVKDONJSA-N	0	2	316.336	2.660	40	70		DFIBLN
Cc1nc(Nc2ccccc2)cc(N2CCC(C(=O)[O-])CC2)[nH+]1	ZINC000217360334	542877172	/nfs/dbraw/zinc/87/71/72/542877172.db2.gz	HEFHBUKSZQXANP-UHFFFAOYSA-N	0	2	312.373	2.830	40	70		DFIBLN
O=C([O-])C1CCN(c2cc(Nc3ccc(F)cc3)[nH+]cn2)CC1	ZINC000217360575	542877561	/nfs/dbraw/zinc/87/75/61/542877561.db2.gz	YZSKPCHDDWBGDB-UHFFFAOYSA-N	0	2	316.336	2.660	40	70		DFIBLN
O=C([O-])[C@H]1CCCN(c2cc(Nc3ccc(F)cc3)[nH+]cn2)C1	ZINC000217363691	542877149	/nfs/dbraw/zinc/87/71/49/542877149.db2.gz	AKMXPWZTZHEYLL-NSHDSACASA-N	0	2	316.336	2.660	40	70		DFIBLN
Cc1cccc(Nc2cc(N3CCC[C@@H](C(=O)[O-])C3)nc[nH+]2)c1	ZINC000217363220	542877049	/nfs/dbraw/zinc/87/70/49/542877049.db2.gz	DJRZHMRIDMTXMR-CYBMUJFWSA-N	0	2	312.373	2.830	40	70		DFIBLN
COc1cccc(/C=N\O)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000216782837	257230831	/nfs/dbraw/zinc/23/08/31/257230831.db2.gz	KZKUEAXOLMSUTR-YBEGLDIGSA-N	0	2	321.354	2.579	40	70		DFIBLN
COc1cc([N+](=O)[O-])ccc1Sc1nc(C(F)F)n[nH]1	ZINC000216903561	426561970	/nfs/dbraw/zinc/56/19/70/426561970.db2.gz	UWFXWANZLPOBLF-UHFFFAOYSA-N	0	2	302.262	2.810	40	70		DFIBLN
COc1ccc(Sc2nc(C(F)F)n[nH]2)c([N+](=O)[O-])c1	ZINC000216904026	426562065	/nfs/dbraw/zinc/56/20/65/426562065.db2.gz	WQXUVMSKUYLNKR-UHFFFAOYSA-N	0	2	302.262	2.810	40	70		DFIBLN
Cc1cccc(Nc2cc(N3CCC[C@H](C(=O)[O-])C3)nc[nH+]2)c1	ZINC000217363298	542877398	/nfs/dbraw/zinc/87/73/98/542877398.db2.gz	DJRZHMRIDMTXMR-ZDUSSCGKSA-N	0	2	312.373	2.830	40	70		DFIBLN
Cc1nc(Nc2ccccc2)cc(N2CCC[C@@H](C(=O)[O-])C2)[nH+]1	ZINC000217362415	542877490	/nfs/dbraw/zinc/87/74/90/542877490.db2.gz	RSGRFVGTNKETMW-CYBMUJFWSA-N	0	2	312.373	2.830	40	70		DFIBLN